5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine

C15H19F3N2O — CID 14592563

IUPAC5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
SMILESCC(C)(C)N1COC(C(F)(F)F)C(Cc2ccccc2)=N1
InChIInChI=1S/C15H19F3N2O/c1-14(2,3)20-10-21-13(15(16,17)18)12(19-20)9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyHJXGTTNBBBAFJP-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.60
Rot. Bonds2

About 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine

5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine (PubChem CID 14592563) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine.

Molecular Properties

Compound Name5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
PubChem CID14592563
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
SMILESCC(C)(C)N1COC(C(F)(F)F)C(Cc2ccccc2)=N1
InChIInChI=1S/C15H19F3N2O/c1-14(2,3)20-10-21-13(15(16,17)18)12(19-20)9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKeyHJXGTTNBBBAFJP-UHFFFAOYSA-N
XLogP3.60
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 365916
3-methyl-5-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 14024805
3-Ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592556
3-Tert-butyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592557
(6R)-3-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 92275685
(6S)-3-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 92299044
3-Methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine
CID 102089655
N-[(E)-(2-methoxy-1-phenylethylidene)amino]-N-methylmethanamine
CID 121219579

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The IUPAC name of 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine (CID 14592563) is 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine.
What is the SMILES notation for 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The canonical SMILES for 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine is CC(C)(C)N1COC(C(F)(F)F)C(Cc2ccccc2)=N1.
What is the InChIKey of 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The InChIKey is HJXGTTNBBBAFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-14(2,3)20-10-21-13(15(16,17)18)12(19-20)9-11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3.
What are the key properties of 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine has a molecular weight of 300.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine is sourced from PubChem (CID 14592563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).